Cas no 28749-26-0 (Nonanoic acid,1-naphthalenyl ester)

Nonanoic acid,1-naphthalenyl ester structure
28749-26-0 structure
Product Name:Nonanoic acid,1-naphthalenyl ester
CAS No:28749-26-0
MF:C19H24O2
MW:284.392665863037
CID:239898
PubChem ID:53428184
Update Time:2025-04-19

Nonanoic acid,1-naphthalenyl ester Chemical and Physical Properties

Names and Identifiers

    • Nonanoic acid,1-naphthalenyl ester
    • naphthalen-1-yl nonanoate
    • 1-Naphthyl nonanoate
    • LogP
    • SCHEMBL3740934
    • A-NAPHTHYL NONANOATE
    • Naphthylnonanoate
    • DTXSID20699773
    • 28749-26-0
    • Inchi: 1S/C19H24O2/c1-2-3-4-5-6-7-15-19(20)21-18-14-10-12-16-11-8-9-13-17(16)18/h8-14H,2-7,15H2,1H3
    • InChI Key: OFXVKKCNGCDUQP-UHFFFAOYSA-N
    • SMILES: O(C1C=CC=C2C=CC=CC=12)C(CCCCCCCC)=O

Computed Properties

  • Exact Mass: 284.17772
  • Monoisotopic Mass: 284.178
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 9
  • Complexity: 300
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 6.3
  • Topological Polar Surface Area: 26.3A^2

Experimental Properties

  • Density: 1.028
  • Boiling Point: 407.866°C at 760 mmHg
  • Flash Point: 133.412°C
  • Refractive Index: 1.548
  • PSA: 26.3
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